Analyte Name

22-Oxacalcitriol-d6

CAS Number

2070009-38-8

Molecular Formula

C26H36D6O4

Molecular Weight

424.65

Accurate Mass

424.35

SMILES

O[C@H](C/C1=C/C=C2[C@@]([H])([C@@]3(CCC/2)C)CC[C@@]3([C@@H](OCCC(C([2H])([2H])[2H])(C([2H])([2H])[2H])O)C)[H])C[C@@H](C1=C)O

InChI

InChI=1S/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24-,26+/m0/s1/i3D3,4D3

IUPAC

(1R,3S,Z)-5-(2-((1S,3aS,7aS,E)-1-((S)-1-(3-hydroxy-3-(methyl-d3)butoxy-4,4,4-d3)ethyl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol

Unlabelled CAS Number

103909-75-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat